[
  {
    "molid": "mol7132",
    "smiles": "CC(C)N=c1ncccn1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)N=c1ncccn1Cc1ccccc1",
        "std_free_energy": -0.5786851644515991,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)[NH+]=c1ncccn1Cc1ccccc1",
        "std_free_energy": -9.523781776428223,
        "relative_population": 0.8492679960348127
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)N=c1[nH+]cccn1Cc1ccccc1",
        "std_free_energy": -7.794910430908203,
        "relative_population": 0.1507320039651872
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]